N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide

C19H24F3N3O4S — CID 3852850

IUPACN-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CC1NC(=O)C2CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CCN2C1=O
InChIInChI=1S/C19H24F3N3O4S/c1-11(2)8-15-18(27)25-7-6-13(10-16(25)17(26)23-15)24-30(28,29)14-5-3-4-12(9-14)19(20,21)22/h3-5,9,11,13,15-16,24H,6-8,10H2,1-2H3,(H,23,26)
InChIKeyLZPVWXXELBHANH-UHFFFAOYSA-N
MW447.48 g/mol
LogP1.89
Rot. Bonds5

About N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3852850) has the molecular formula C19H24F3N3O4S and a molecular weight of 447.48 g/mol. Its IUPAC name is N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3852850
Molecular FormulaC19H24F3N3O4S
Molecular Weight447.48 g/mol
Exact Mass447.14
IUPAC NameN-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CC1NC(=O)C2CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CCN2C1=O
InChIInChI=1S/C19H24F3N3O4S/c1-11(2)8-15-18(27)25-7-6-13(10-16(25)17(26)23-15)24-30(28,29)14-5-3-4-12(9-14)19(20,21)22/h3-5,9,11,13,15-16,24H,6-8,10H2,1-2H3,(H,23,26)
InChIKeyLZPVWXXELBHANH-UHFFFAOYSA-N
XLogP1.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S,8R,9aS)-8-[(4-chlorophenyl)sulfonylamino]-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-3-yl]propanoic acid
CID 163130628
N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]cyclohexanecarboxamide
CID 3863800
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 38114118
4-[(2S,4S)-2-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 7114686
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2704225
(3S,7S,8aS)-7-[(3-chlorophenyl)methylamino]-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 126461880
(3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid
CID 69065013
N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 95101484
N-[(3R,7S,8aS)-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-methylbenzamide
CID 56858419
(3S)-1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one
CID 99827767
N-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 123995478
N-[(3S,7S,8aS)-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]thiophene-2-carboxamide
CID 126460947

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 3852850) is N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide is CC(C)CC1NC(=O)C2CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CCN2C1=O.
What is the InChIKey of N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LZPVWXXELBHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O4S/c1-11(2)8-15-18(27)25-7-6-13(10-16(25)17(26)23-15)24-30(28,29)14-5-3-4-12(9-14)19(20,21)22/h3-5,9,11,13,15-16,24H,6-8,10H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 447.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3852850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).